2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one Formula: C29H22FN3O2S2 MolecularWeight: 527.632283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H22FN3O2S2/c1-35-25-15-10-18(16-19(25)17-36-29-32-24-8-4-5-9-26(24)37-29)27-31-23-7-3-2-6-22(23)28(34)33(27)21-13-11-20(30)12-14-21/h2-16,27,31H,17H2,1H3